ethyl 2-[(4-dimethylaminophenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-dimethylaminophenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-dimethylaminophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-(dimethylamino)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-dimethylaminophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-dimethylaminophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H25N3O2S2/c1-4-28-22(27)20-15-19(14-16-8-6-5-7-9-16)30-21(20)25-23(29)24-17-10-12-18(13-11-17)26(2)3/h5-13,15H,4,14H2,1-3H3,(H2,24,25,29)